methyl 5-methyl-2-(3-methylbutanoylamino)-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-2-(3-methylbutanoylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-(3-methylbutanoylamino)-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[(3-methyl-1-oxobutyl)amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-(3-methylbutanoylamino)-4-phenylthiophene-3-carboxylate Traditional Name: 2-(isovalerylamino)-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)CC(C)C)C(=O)OC)C2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)CC(C)C)C(=O)OC)C2=CC=CC=C2

InChI

InChI=1S/C18H21NO3S/c1-11(2)10-14(20)19-17-16(18(21)22-4)15(12(3)23-17)13-8-6-5-7-9-13/h5-9,11H,10H2,1-4H3,(H,19,20)